[6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite

C19H15FN4O3S — CID 176667287

IUPAC[6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite
SMILESCc1cc(S(C)(=O)=O)c(Cn2cc3ccc(C#N)c(OF)c3n2)c2cc[nH]c12
InChIInChI=1S/C19H15FN4O3S/c1-11-7-16(28(2,25)26)15(14-5-6-22-17(11)14)10-24-9-13-4-3-12(8-21)19(27-20)18(13)23-24/h3-7,9,22H,10H2,1-2H3
InChIKeySKQBUFMBMKPCBR-UHFFFAOYSA-N
MW398.42 g/mol
LogP3.41
Rot. Bonds4

About [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite

[6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite (PubChem CID 176667287) has the molecular formula C19H15FN4O3S and a molecular weight of 398.42 g/mol. Its IUPAC name is [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite.

Molecular Properties

Compound Name[6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite
PubChem CID176667287
Molecular FormulaC19H15FN4O3S
Molecular Weight398.42 g/mol
Exact Mass398.08
IUPAC Name[6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite
SMILESCc1cc(S(C)(=O)=O)c(Cn2cc3ccc(C#N)c(OF)c3n2)c2cc[nH]c12
InChIInChI=1S/C19H15FN4O3S/c1-11-7-16(28(2,25)26)15(14-5-6-22-17(11)14)10-24-9-13-4-3-12(8-21)19(27-20)18(13)23-24/h3-7,9,22H,10H2,1-2H3
InChIKeySKQBUFMBMKPCBR-UHFFFAOYSA-N
XLogP3.41
TPSA100.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite?
The IUPAC name of [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite (CID 176667287) is [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite.
What is the SMILES notation for [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite?
The canonical SMILES for [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite is Cc1cc(S(C)(=O)=O)c(Cn2cc3ccc(C#N)c(OF)c3n2)c2cc[nH]c12.
What is the InChIKey of [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite?
The InChIKey is SKQBUFMBMKPCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3S/c1-11-7-16(28(2,25)26)15(14-5-6-22-17(11)14)10-24-9-13-4-3-12(8-21)19(27-20)18(13)23-24/h3-7,9,22H,10H2,1-2H3.
What are the key properties of [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite?
[6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite has a molecular weight of 398.42 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-cyano-2-[(7-methyl-5-methylsulfonyl-1H-indol-4-yl)methyl]indazol-7-yl] hypofluorite is sourced from PubChem (CID 176667287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).